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OOPSE-4
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samples
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alkane
/
butane.md
Revision:
2489
Committed:
Tue Dec 6 16:49:59 2005 UTC
(18 years, 9 months ago) by
tim
File size:
186 byte(s)
Log Message:
remove deprecated keywords from samples
File Contents
#
Content
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#include "alkanes.md"
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component{
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type = "butane";
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nMol = 32;
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}
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initialConfig = "./butane.in";
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dt = 1.0;
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forceField = "DUFF";
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ensemble = NVE;
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runTime = 10000.0;
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sampleTime = 10.0;